UCSF

ZINC31561773

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 23 Yes

Popular Name: 1-(N-Methylpiperazine)-4-methylthioxanthenone; 4-Methyl-1-(4-methyl-1-piperazinyl)thioxanthen-9-one; BRN 0324216; LS-153721; Thioxanthen-9-one, 4-methyl-1-(4-methyl-1-piperazinyl)- 1-(N-Methylpiperazine)-4-methylt…

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.53 10.36 -88.46 2 3 2 28 326.465 0 ↓
Hi High (pH 8-9.5) 0.53 7.98 -22.92 1 3 1 26 325.457 0 ↓
Hi High (pH 8-9.5) 4.56 9.53 -9.06 0 3 0 24 324.449 1 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )